methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-ethenyl-1-benzimidazol-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H17N4O3S+ MolecularWeight: 381.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CN(C4=CC=CC=C43)C=C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CN(C4=CC=CC=C43)C=C)C(=O)OC

InChI

InChI=1S/C19H16N4O3S/c1-4-22-10-23(13-8-6-5-7-12(13)22)9-14-20-17(24)15-11(2)16(19(25)26-3)27-18(15)21-14/h4-8,10H,1,9H2,2-3H3/p+1